4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C19H28N2O3 — CID 122088510

IUPAC4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(C)C)cc(C)c1NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H28N2O3/c1-11(2)15-9-12(3)17(13(4)10-15)21-19(24)20-16-7-5-14(6-8-16)18(22)23/h9-11,14,16H,5-8H2,1-4H3,(H,22,23)(H2,20,21,24)
InChIKeyHBBMTIOLILAMFN-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.19
Rot. Bonds4

About 4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122088510) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122088510
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(C)C)cc(C)c1NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H28N2O3/c1-11(2)15-9-12(3)17(13(4)10-15)21-19(24)20-16-7-5-14(6-8-16)18(22)23/h9-11,14,16H,5-8H2,1-4H3,(H,22,23)(H2,20,21,24)
InChIKeyHBBMTIOLILAMFN-UHFFFAOYSA-N
XLogP4.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-2-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088195
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
4-[(4-propan-2-yl-1,3-thiazol-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094897
4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079348
4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 25184207
4-[(3,5-dimethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094174
4-[(4-carbamoyl-3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079465
4-[(2-propan-2-yl-6-prop-2-enylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091259
4-[1-(3,4-dimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054628
4-[(4-bromo-2-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001618
3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66252752

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122088510) is 4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is Cc1cc(C(C)C)cc(C)c1NC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is HBBMTIOLILAMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-11(2)15-9-12(3)17(13(4)10-15)21-19(24)20-16-7-5-14(6-8-16)18(22)23/h9-11,14,16H,5-8H2,1-4H3,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 332.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122088510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).